{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.638473 0 0.296076 ] [ 0.361527 0 0.703924 ] [ 0 0 0.5 ] [ 0.138473 0.5 0.296076 ] [ 0.861527 0.5 0.703924 ] [ 0.5 0.5 0.5 ] [ 0.787211 0 0.427537 ] [ 0.212789 0 0.572463 ] [ 0.684132 0 0.101419 ] [ 0.315868 0 0.898581 ] [ 0.035659 0.750613 0.325983 ] [ 0.964341 0.750613 0.674017 ] [ 0.964341 0.249387 0.674017 ] [ 0.035659 0.249387 0.325983 ] [ 0.287211 0.5 0.427537 ] [ 0.712789 0.5 0.572463 ] [ 0.184132 0.5 0.101419 ] [ 0.815868 0.5 0.898581 ] [ 0.535659 0.250613 0.325983 ] [ 0.464341 0.250613 0.674017 ] [ 0.464341 0.749387 0.674017 ] [ 0.535659 0.749387 0.325983 ] ] } "species" { "source-value" [ "Tl" "Tl" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.0283015 "source-unit" "angstrom" } "b" { "source-value" 5.52266918 "source-unit" "angstrom" } "c" { "source-value" 7.9716313 "source-unit" "angstrom" } "beta" { "source-value" 93.01405656 "source-unit" "degree" } }